Pentamethylheptane
TL;DR: Pentamethylheptane (CAS 30586-18-6) is a chemical compound with molecular formula C12H26 and molecular weight 170.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,3,3-tetramethyloctane
Also Known As: Heptane, pentamethyl-, Pentamethylheptane, pentamethyl heptane, 2,2,3,3-tetramethyloctane, Octane, 2,2,3,3-tetramethyl-
| Molecular Formula | C12H26 |
|---|---|
| Molecular Weight | 170.20 g/mol |
| LogP | 4.639 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 4 |
| Exact Mass | 170.20345 |
| Heavy Atoms | 12 |
| Complexity | 114.49023 |
Chemical Identifiers
| CAS Number | 30586-18-6 |
|---|---|
| SMILES | CCCCCC(C)(C)C(C)(C)C |
Product Overview
Pentamethylheptane (CAS 30586-18-6), with molecular formula C12H26 and molecular weight 170.20 g/mol. IUPAC: 2,2,3,3-tetramethyloctane.
Chemical Property Profile of Pentamethylheptane
Property Insights of Pentamethylheptane
The XLogP value of 4.639 indicates that Pentamethylheptane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Pentamethylheptane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentamethylheptane has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pentamethylheptane?
The CAS number of Pentamethylheptane is 30586-18-6.
What is the molecular formula of Pentamethylheptane?
The molecular formula of Pentamethylheptane is C12H26.
What is the molecular weight of Pentamethylheptane?
The molecular weight of Pentamethylheptane is 170.20 g/mol.
Where can I buy Pentamethylheptane?
You can request a quote for Pentamethylheptane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentamethylheptane?
Yes, KEHONG BIO provides custom synthesis services for Pentamethylheptane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.